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CHEBI:200890 - Wollamide B

ChEBI IDCHEBI:200890
ChEBI NameWollamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H57N9O7
Net Charge0
Average Mass739.919
Monoisotopic Mass739.43810
SMILESCC(C)C[C@@H]1NC(=O)[C@H](Cc2cnc3ccccc23)NC(=O)[C@@H](CCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC(C)C)NC1=O
InChIInChI=1S/C37H57N9O7/c1-19(2)14-26-33(49)43-27(15-20(3)4)36(52)46-31(21(5)6)37(53)45-29(17-30(39)47)35(51)41-25(12-9-13-38)32(48)44-28(34(50)42-26)16-22-18-40-24-11-8-7-10-23(22)24/h7-8,10-11,18-21,25-29,31,40H,9,12-17,38H2,1-6H3,(H2,39,47)(H,41,51)(H,42,50)(H,43,49)(H,44,48)(H,45,53)(H,46,52)/t25-,26+,27-,28+,29+,31+/m1/s1
InChIKeyOXJJMHSZSDGXNW-SCJLKASNSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (25229313)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Wollamide B (CHEBI:200890) is a oligopeptide (CHEBI:25676)
IUPAC Name 
2-[(2S,5R,8S,11S,14R,17S)-5-(3-aminopropyl)-8-(1H-indol-3-ylmethyl)-11,14-bis(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-17-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadec-2-yl]acetamide
Manual XrefsDatabases
78440091ChemSpider